1-(2-diethylaminoethyl)-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(2-diethylaminoethyl)-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(2-diethylaminoethyl)-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-(2-diethylaminoethyl)-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(2-diethylaminoethyl)-6-oxopyridine-3-carboxylic acid Traditional Name: 1-(2-diethylaminoethyl)-6-keto-nicotinic acid Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=C(C=CC1=O)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C=C(C=CC1=O)C(=O)O

InChI

InChI=1S/C12H18N2O3/c1-3-13(4-2)7-8-14-9-10(12(16)17)5-6-11(14)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)